3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C19H10F3N3O2 — CID 137288924

IUPAC3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C19H10F3N3O2/c20-11-2-5-16(12(21)8-11)25-9-23-15-4-3-14(24-18(15)19(25)27)10-1-6-17(26)13(22)7-10/h1-9,26H
InChIKeyMFOWHBJUXSIUAY-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.57
Rot. Bonds2

About 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 137288924) has the molecular formula C19H10F3N3O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID137288924
Molecular FormulaC19H10F3N3O2
Molecular Weight369.30 g/mol
Exact Mass369.07
IUPAC Name3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C19H10F3N3O2/c20-11-2-5-16(12(21)8-11)25-9-23-15-4-3-14(24-18(15)19(25)27)10-1-6-17(26)13(22)7-10/h1-9,26H
InChIKeyMFOWHBJUXSIUAY-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
3-(2,4-Difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810714
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
6-(3-Fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 137279418
6-(3-Fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279420
6-(3-Hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805586
6-(3-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923
3-(2,4-Difluorophenyl)-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806611
3-(2,4-Difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808976

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 137288924) is 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is MFOWHBJUXSIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N3O2/c20-11-2-5-16(12(21)8-11)25-9-23-15-4-3-14(24-18(15)19(25)27)10-1-6-17(26)13(22)7-10/h1-9,26H.
What are the key properties of 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 369.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137288924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).